Jasmonic Acid
Jasmonic synonyms
Jasmonic acid; ()-1alpha,2beta-3-Oxo-2-(cis-2-pentenyl)cyclopentaneacetic acid; 2-{(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl}acetate; (-)-Jasmonic acid; (1R,2R)-3-oxo-2-(2Z)-2-penten-ylcyclopentanacetic acid; 3-Oxo-2-(2-pentenyl)cyclopentaneacetic acid; Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, (1R,2R)-; Jasmonate; (1R,2R)-3-oxo-2-(pent-2Z-enyl)-cyclopentaneacetic acid; {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid; {(1R,2R)-3-Oxo-2-[(Z)pent-2-enyl]cyclopent-2-enyl}acetic acid
Graphical representations:
View large 3D structure
Molecular Formula: C12H18O3
Natural Isotopic Abundance Mass: 210.26952
Mono-Isotopic Molecular Masses:
- C12N14: 210.1255944441
- C13N14: 222.1658524977
- C12N15: 210.1255944441
- C13N15: 222.1658524977
InChI string: InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1
PubChem Compound (CID): 5281166CAS Registry number: 6894-38-8
Sigma-Aldrich: J2500_SIGMA
ChEBI: CHEBI:18292
ChemIDplus: 006894388
ChemSpider: 4444606
KEGG Compound ID: C08491
NCGC: NCGC00017349-01
MMCD: cq_05177
MDL: MFCD0017441
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)